Product OPENEYE NAME: methyl (E)-3-[4-[[6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-1-isoquinolyl]methyl]phenyl]prop-2-enoate
CAS Name: (E)-3-[4-[[6-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-1-isoquinolinyl]methyl]phenyl]-2-propenoic acid methyl ester
IUPAC NAME: methyl (E)-3-[4-[[6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyisoquinolin-1-yl]methyl]phenyl]prop-2-enoate
SYSTEMATIC NAME: methyl (E)-3-[4-[[6-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxyisoquinolin-1-yl]methyl]phenyl]prop-2-enoate
MOLECULAR FORMULA: C26H27NO8
MOLECULAR WEIGHT: 481.49448
SMILES: COC(=O)/C=C/C1=CC=C(C=C1)CC2=NC=CC3=C2C=CC(=C3)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O
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Product OPENEYE NAME: furo[3,4-d]pyrimidine-5,7-dione
CAS Name: furo[3,4-d]pyrimidine-5,7-dione
IUPAC NAME: furo[3,4-d]pyrimidine-5,7-dione
SYSTEMATIC NAME: furo[3,4-d]pyrimidine-5,7-dione
MOLECULAR FORMULA: C6H2N2O3
MOLECULAR WEIGHT: 150.09168
SMILES: C1=C2C(=NC=N1)C(=O)OC2=O
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Product OPENEYE NAME: 3-amino-5-[2-(dimethylamino)ethylamino]-8-fluoro-1,4-dioxo-naphthalene-2-carbaldehyde
CAS Name: 3-amino-5-[2-(dimethylamino)ethylamino]-8-fluoro-1,4-dioxo-2-naphthalenecarboxaldehyde
IUPAC NAME: 3-amino-5-[2-(dimethylamino)ethylamino]-8-fluoro-1,4-dioxonaphthalene-2-carbaldehyde
SYSTEMATIC NAME: 3-azanyl-5-[2-(dimethylamino)ethylamino]-8-fluoranyl-1,4-bis(oxidanylidene)naphthalene-2-carbaldehyde
MOLECULAR FORMULA: C15H16FN3O3
MOLECULAR WEIGHT: 305.304243
SMILES: CN(C)CCNC1=C2C(=C(C=C1)F)C(=O)C(=C(C2=O)N)C=O
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Product OPENEYE NAME: 2-methylsulfanyl-N-phenyl-4-(p-tolyl)pyrimidin-1-ium-1-amine
CAS Name: 4-(4-methylphenyl)-2-(methylthio)-N-phenyl-1-pyrimidin-1-iumamine
IUPAC NAME: 4-(4-methylphenyl)-2-methylsulfanyl-N-phenylpyrimidin-1-ium-1-amine
SYSTEMATIC NAME: 4-(4-methylphenyl)-2-methylsulfanyl-N-phenyl-pyrimidin-1-ium-1-amine
MOLECULAR FORMULA: C18H18N3S+
MOLECULAR WEIGHT: 308.42062
SMILES: CC1=CC=C(C=C1)C2=NC(=[N+](C=C2)NC3=CC=CC=C3)SC
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Product OPENEYE NAME: N-(2,4-dinitrophenyl)-2-methylsulfanyl-4-(p-tolyl)pyrimidin-1-ium-1-amine
CAS Name: N-(2,4-dinitrophenyl)-4-(4-methylphenyl)-2-(methylthio)-1-pyrimidin-1-iumamine
IUPAC NAME: N-(2,4-dinitrophenyl)-4-(4-methylphenyl)-2-methylsulfanylpyrimidin-1-ium-1-amine
SYSTEMATIC NAME: N-(2,4-dinitrophenyl)-4-(4-methylphenyl)-2-methylsulfanyl-pyrimidin-1-ium-1-amine
MOLECULAR FORMULA: C18H16N5O4S+
MOLECULAR WEIGHT: 398.41574
SMILES: CC1=CC=C(C=C1)C2=NC(=[N+](C=C2)NC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])SC
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Product OPENEYE NAME: 2-methylsulfanyl-N-(4-nitrophenyl)-4-phenyl-pyrimidin-1-ium-1-amine
CAS Name: 2-(methylthio)-N-(4-nitrophenyl)-4-phenyl-1-pyrimidin-1-iumamine
IUPAC NAME: 2-methylsulfanyl-N-(4-nitrophenyl)-4-phenylpyrimidin-1-ium-1-amine
SYSTEMATIC NAME: 2-methylsulfanyl-N-(4-nitrophenyl)-4-phenyl-pyrimidin-1-ium-1-amine
MOLECULAR FORMULA: C17H15N4O2S+
MOLECULAR WEIGHT: 339.3916
SMILES: CSC1=[N+](C=CC(=N1)C2=CC=CC=C2)NC3=CC=C(C=C3)[N+](=O)[O-]
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Product OPENEYE NAME: 4-methyl-N-(2-methylsulfanyl-4-phenyl-pyrimidin-1-ium-1-yl)benzenesulfonamide
CAS Name: 4-methyl-N-[2-(methylthio)-4-phenyl-1-pyrimidin-1-iumyl]benzenesulfonamide
IUPAC NAME: 4-methyl-N-(2-methylsulfanyl-4-phenylpyrimidin-1-ium-1-yl)benzenesulfonamide
SYSTEMATIC NAME: 4-methyl-N-(2-methylsulfanyl-4-phenyl-pyrimidin-1-ium-1-yl)benzenesulfonamide
MOLECULAR FORMULA: C18H18N3O2S2+
MOLECULAR WEIGHT: 372.48442
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N[N+]2=C(N=C(C=C2)C3=CC=CC=C3)SC
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Product OPENEYE NAME: N-(2,4-dinitrophenyl)-2-methylsulfanyl-4-phenyl-pyrimidin-1-ium-1-amine
CAS Name: N-(2,4-dinitrophenyl)-2-(methylthio)-4-phenyl-1-pyrimidin-1-iumamine
IUPAC NAME: N-(2,4-dinitrophenyl)-2-methylsulfanyl-4-phenylpyrimidin-1-ium-1-amine
SYSTEMATIC NAME: N-(2,4-dinitrophenyl)-2-methylsulfanyl-4-phenyl-pyrimidin-1-ium-1-amine
MOLECULAR FORMULA: C17H14N5O4S+
MOLECULAR WEIGHT: 384.38916
SMILES: CSC1=[N+](C=CC(=N1)C2=CC=CC=C2)NC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]
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Product OPENEYE NAME: (6E)-3-(1,3-benzoxazol-2-yl)-6-(3H-1,3-benzoxazol-2-ylidene)-4-methoxy-cyclohexa-2,4-dien-1-one
CAS Name: (6E)-3-(1,3-benzoxazol-2-yl)-6-(3H-1,3-benzoxazol-2-ylidene)-4-methoxy-1-cyclohexa-2,4-dienone
IUPAC NAME: (6E)-3-(1,3-benzoxazol-2-yl)-6-(3H-1,3-benzoxazol-2-ylidene)-4-methoxycyclohexa-2,4-dien-1-one
SYSTEMATIC NAME: (6E)-3-(1,3-benzoxazol-2-yl)-6-(3H-1,3-benzoxazol-2-ylidene)-4-methoxy-cyclohexa-2,4-dien-1-one
MOLECULAR FORMULA: C21H14N2O4
MOLECULAR WEIGHT: 358.34686
SMILES: COC1=C/C(=C\2/NC3=CC=CC=C3O2)/C(=O)C=C1C4=NC5=CC=CC=C5O4
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Product OPENEYE NAME: 2-[4-(1,3-benzoxazol-2-yl)-2,5-dimethoxy-phenyl]-1,3-benzoxazole
CAS Name: 2-[4-(1,3-benzoxazol-2-yl)-2,5-dimethoxyphenyl]-1,3-benzoxazole
IUPAC NAME: 2-[4-(1,3-benzoxazol-2-yl)-2,5-dimethoxyphenyl]-1,3-benzoxazole
SYSTEMATIC NAME: 2-[4-(1,3-benzoxazol-2-yl)-2,5-dimethoxy-phenyl]-1,3-benzoxazole
MOLECULAR FORMULA: C22H16N2O4
MOLECULAR WEIGHT: 372.37344
SMILES: COC1=CC(=C(C=C1C2=NC3=CC=CC=C3O2)OC)C4=NC5=CC=CC=C5O4
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Product OPENEYE NAME: 2-[(5S,8S,9S,10S,13S,14S,17R)-2-azido-10,13-dimethyl-3-oxo-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]propyl acetate
CAS Name: acetic acid 2-[(5S,8S,9S,10S,13S,14S,17R)-2-azido-10,13-dimethyl-3-oxo-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]propyl ester
IUPAC NAME: 2-[(5S,8S,9S,10S,13S,14S,17R)-2-azido-10,13-dimethyl-3-oxo-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]propyl acetate
SYSTEMATIC NAME: 2-[(5S,8S,9S,10S,13S,14S,17R)-2-azido-10,13-dimethyl-3-oxidanylidene-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]propyl ethanoate
MOLECULAR FORMULA: C24H35N3O3
MOLECULAR WEIGHT: 413.553
SMILES: CC(COC(=O)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(C=C(C(=O)C4)N=[N+]=[N-])C)C
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MOLECULAR FORMULA: C24H35N3O3
MOLECULAR WEIGHT: 413.553
SMILES: CC(COC(=O)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(C5=NNN=C5C(=O)C4)C)C
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MOLECULAR FORMULA: C26H32O4
MOLECULAR WEIGHT: 408.52988
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2OC(=O)C4=CC=CC=C4)CC[C@@H]5[C@@]3([C@@H]6[C@@H](O6)C(=O)C5)C
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Product OPENEYE NAME: 2-[(5S,8S,9S,10R,13S,14S,17R)-10,13-dimethyl-3-oxo-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]propyl acetate
CAS Name: acetic acid 2-[(5S,8S,9S,10R,13S,14S,17R)-10,13-dimethyl-3-oxo-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]propyl ester
IUPAC NAME: 2-[(5S,8S,9S,10R,13S,14S,17R)-10,13-dimethyl-3-oxo-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]propyl acetate
SYSTEMATIC NAME: 2-[(5S,8S,9S,10R,13S,14S,17R)-10,13-dimethyl-3-oxidanylidene-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]propyl ethanoate
MOLECULAR FORMULA: C24H36O3
MOLECULAR WEIGHT: 372.54084
SMILES: CC(COC(=O)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(C=CC(=O)C4)C)C
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Product OPENEYE NAME: (5S,8S,9S,10R,13S,14S,17R)-17-(2-hydroxy-1-methyl-ethyl)-10,13-dimethyl-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
CAS Name: (5S,8S,9S,10R,13S,14S,17R)-17-(1-hydroxypropan-2-yl)-10,13-dimethyl-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
IUPAC NAME: (5S,8S,9S,10R,13S,14S,17R)-17-(1-hydroxypropan-2-yl)-10,13-dimethyl-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
SYSTEMATIC NAME: (5S,8S,9S,10R,13S,14S,17R)-10,13-dimethyl-17-(1-oxidanylpropan-2-yl)-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
MOLECULAR FORMULA: C22H34O2
MOLECULAR WEIGHT: 330.50416
SMILES: CC(CO)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(C=CC(=O)C4)C)C
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MOLECULAR FORMULA: C24H36O4
MOLECULAR WEIGHT: 388.54024
SMILES: CC(COC(=O)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3([C@@H]5[C@@H](O5)C(=O)C4)C)C
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MOLECULAR FORMULA: C22H34O3
MOLECULAR WEIGHT: 346.50356
SMILES: CC(CO)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3([C@@H]5[C@@H](O5)C(=O)C4)C)C
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Product OPENEYE NAME: N-(4-chlorophenyl)pyrazolidine-1-carboxamide
CAS Name: N-(4-chlorophenyl)-1-pyrazolidinecarboxamide
IUPAC NAME: N-(4-chlorophenyl)pyrazolidine-1-carboxamide
SYSTEMATIC NAME: N-(4-chlorophenyl)pyrazolidine-1-carboxamide
MOLECULAR FORMULA: C10H12ClN3O
MOLECULAR WEIGHT: 225.67478
SMILES: C1CNN(C1)C(=O)NC2=CC=C(C=C2)Cl
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Product OPENEYE NAME: N-(3-chlorophenyl)pyrazolidine-1-carboxamide
CAS Name: N-(3-chlorophenyl)-1-pyrazolidinecarboxamide
IUPAC NAME: N-(3-chlorophenyl)pyrazolidine-1-carboxamide
SYSTEMATIC NAME: N-(3-chlorophenyl)pyrazolidine-1-carboxamide
MOLECULAR FORMULA: C10H12ClN3O
MOLECULAR WEIGHT: 225.67478
SMILES: C1CNN(C1)C(=O)NC2=CC(=CC=C2)Cl
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